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Home > Nitro Compounds > 16669-89-9
16669-89-9 | Benzenesulfonamide, 4-methyl-3-nitro-N-(4-nitrophenyl)-
CAS No: 16669-89-9 Catalog No: AG001WWH MDL No:
Product Description
Catalog Number:
AG001WWH
Chemical Name:
Benzenesulfonamide, 4-methyl-3-nitro-N-(4-nitrophenyl)-
CAS Number:
16669-89-9
Molecular Formula:
C13H11N3O6S
Molecular Weight:
337.3079
IUPAC Name:
4-methyl-3-nitro-N-(4-nitrophenyl)benzenesulfonamide
InChI:
InChI=1S/C13H11N3O6S/c1-9-2-7-12(8-13(9)16(19)20)23(21,22)14-10-3-5-11(6-4-10)15(17)18/h2-8,14H,1H3
InChI Key:
POOOQGOAMUWLJX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.037g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.306g/mol
Monoisotopic Mass:
337.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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